cyclohexa-2,4-dien-1-ylidenemethylbenzene

C13H12 — CID 54483415

IUPACcyclohexa-2,4-dien-1-ylidenemethylbenzene
SMILESC1=CCC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-9,11H,10H2
InChIKeyZTCZYTZOLQUGOY-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.59
Rot. Bonds1

About cyclohexa-2,4-dien-1-ylidenemethylbenzene

cyclohexa-2,4-dien-1-ylidenemethylbenzene (PubChem CID 54483415) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylidenemethylbenzene.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylidenemethylbenzene
PubChem CID54483415
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Namecyclohexa-2,4-dien-1-ylidenemethylbenzene
SMILESC1=CCC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-9,11H,10H2
InChIKeyZTCZYTZOLQUGOY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclohexa-2,4-dien-1-ylidenemethyl)-4-phenylmethoxybenzene
CID 152609738
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
2-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-1-methyltetracene
CID 140590775
(4-methylsulfanylphenyl) 4-benzylidenecyclohexa-1,5-diene-1-carboxylate
CID 150642323
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
CID 91128168
N-[(4-benzylidenecyclohex-2-en-1-ylidene)amino]-N-methylmethanamine
CID 57233484
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid
CID 151761419
cyclohexa-2,4-dien-1-ylidene-methyl-phenylphosphanium
CID 163672631
6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine
CID 140966794
(5E)-5-benzylidene-3,4-dihydro-2H-pyridine
CID 13172005

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylidenemethylbenzene?
The IUPAC name of cyclohexa-2,4-dien-1-ylidenemethylbenzene (CID 54483415) is cyclohexa-2,4-dien-1-ylidenemethylbenzene.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylidenemethylbenzene?
The canonical SMILES for cyclohexa-2,4-dien-1-ylidenemethylbenzene is C1=CCC(=Cc2ccccc2)C=C1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylidenemethylbenzene?
The InChIKey is ZTCZYTZOLQUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-9,11H,10H2.
What are the key properties of cyclohexa-2,4-dien-1-ylidenemethylbenzene?
cyclohexa-2,4-dien-1-ylidenemethylbenzene has a molecular weight of 168.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylidenemethylbenzene is sourced from PubChem (CID 54483415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).